8139-0152 Screening compound: ethyl 4-(3-{[1-(4-fluorobenzoyl)piperidin-4-yl]amino}-2,5-dioxopyrrolidin-1-yl)benzoate

8139-0152 Screening compound: ethyl 4-(3-{[1-(4-fluorobenzoyl)piperidin-4-yl]amino}-2,5-dioxopyrrolidin-1-yl)benzoate
8139-0152 Screening compound: ethyl 4-(3-{[1-(4-fluorobenzoyl)piperidin-4-yl]amino}-2,5-dioxopyrrolidin-1-yl)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8139-0152
ethyl 4-(3-{[1-(4-fluorobenzoyl)piperidin-4-yl]amino}-2,5-dioxopyrrolidin-1-yl)benzoate

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

8139-0152

Molecular Formula

C25H26FN3O5 (C25 H26 FN3 O5)

Compound Name

ethyl 4-(3-{[1-(4-fluorobenzoyl)piperidin-4-yl]amino}-2,5-dioxopyrrolidin-1-yl)benzoate

IUPAC name

ethyl 4-(3-{[1-(4-fluorobenzoyl)piperidin-4-yl]amino}-25-dioxopyrrolidin-1-yl)benzoate

SMILES

CCOC(c(cc1)ccc1N(C(CC1NC(CC2)CCN2C(c(cc2)ccc2F)=O)=O)C1=O)=O

InChI

InChI=1S/C25H26FN3O5/c1-2-34-25(33)17-5-9-20(10-6-17)29-22(30)15-21(24(29)32)27-19-11-13-28(14-12-19)23(31)16-3-7-18(26)8-4-16/h3-10,19,21,27H,2,11-15H2,1H3/t21-/m0/s1

InChI Key

FJCBJYFFWGECRB-NRFANRHFSA-N

MDL Number (MFCD)

MFCD06014685

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

467.5

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.949

Distribution Coefficient, logD

1.939

Water Solubility, LogSw

-2.42

Polar Surface Area

77.844

Acid Dissociation Constant (pKa)

17.24

Base Dissociation Constant (pKb)

5.77

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

36.00

8139-0152 in Drug Discovery

Included in Screening Libraries

Cysteine Proteases Inhibitors Library (7839 compounds)

Voltage-Gated Ion Channel-Targeted Library (4740 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Nervous system
  • Cardiovascular
  • Skin
  • Metabolic
  • Endocrine
  • Immune system
  • Nervous system
Targets:
  • Proteases
  • Ion Channels

References: we are preparing a list of scientific research reports with 8139-0152 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8139-0152?
Check Price and Availability of 8139-0152, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 8139-0152 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8139-0152
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8139-0152
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of 8139-0152 available by request